4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid

C13H19N3O3 — CID 55097595

IUPAC4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
SMILESCCN(C)CCNC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H19N3O3/c1-3-16(2)9-8-14-13(19)15-11-6-4-10(5-7-11)12(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyGMKWGTRNIHJELM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.46
Rot. Bonds6

About 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid

4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid (PubChem CID 55097595) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
PubChem CID55097595
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
SMILESCCN(C)CCNC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H19N3O3/c1-3-16(2)9-8-14-13(19)15-11-6-4-10(5-7-11)12(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyGMKWGTRNIHJELM-UHFFFAOYSA-N
XLogP1.46
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
CID 62635322
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-3-methylbenzoic acid
CID 62634462
2-chloro-4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 62636703
4-(3-oxobutylcarbamoylamino)benzoic acid
CID 108894964
5-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2,3-dimethylbenzoic acid
CID 63022456
4-(2-methylsulfinylethylcarbamoylamino)benzoic acid
CID 113480280
4-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61206132
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-5-hydroxybenzoic acid
CID 62636191
4-(3-chloropropylcarbamoylamino)benzoic acid
CID 127562069
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
6-[2-[ethyl(methyl)amino]ethylcarbamoyl]pyridine-3-carboxylic acid
CID 62634866
3-bromo-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid
CID 63113630

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
The IUPAC name of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid (CID 55097595) is 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid.
What is the SMILES notation for 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
The canonical SMILES for 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid is CCN(C)CCNC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
The InChIKey is GMKWGTRNIHJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-16(2)9-8-14-13(19)15-11-6-4-10(5-7-11)12(17)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid?
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]benzoic acid is sourced from PubChem (CID 55097595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).